2-{[5-benzyl-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[5-benzyl-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
2-{[5-benzyl-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | V001-4829 |
| Compound Name: | 2-{[5-benzyl-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 410.54 |
| Molecular Formula: | C22 H26 N4 O2 S |
| Salt: | not_available |
| Smiles: | CCN(CC)C(CSc1nnc(Cc2ccccc2)n1c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3407 |
| logD: | 3.3406 |
| logSw: | -3.6639 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.694 |
| InChI Key: | UQPCUMLZIGUFNU-UHFFFAOYSA-N |